Information card for entry 2201789

Structure parameters

• Chemical name: 6,6-Dimethyl-2-(methylethenyl)-3,4,5-tris(methylidene)-1-(2-methylpropen- 1-yl)-cyclohexane
• Formula: C24 H36
• Calculated formula: C24 H36
• SMILES: C1(C(=C(C(=C(C)C)C(=C(C)C)C1=C(C)C)C(=C)C)C=C(C)C)(C)C
• Title of publication: 6,6-Dimethyl-2-(1-methylethenyl)-3,4,5-tris(1-methylethylidene)-1-(2-methylpropen-1-yl)cyclohexane
• Authors of publication: Jones, Peter G.; Bubenitschek, Peter; Hopf, Henning; Höpfner, Thomas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o186 - o187
• a: 14.382 ± 0.002 Å
• b: 17.062 ± 0.002 Å
• c: 17.053 ± 0.002 Å
• α: 90°
• β: 95.436 ± 0.012°
• γ: 90°
• Cell volume: 4165.7 ± 0.9 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes